SCHEMBL7705226

SCHEMBL7705226

CC(C)(C)OC(=O)N(Cc1cccc(Cl)c1)S(C)(=O)=O

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.48
TAS2R14 Q9NYV8 2/20 0.47
CTSL P07711 1/20 0.43
AOC3 Q16853 1/20 0.42
NR3C1 P04150 1/20 0.41
CRY1 Q16526 1/20 0.41
CRY2 Q49AN0 1/20 0.41
TSHR P16473 1/20 0.41
RECQL P46063 1/20 0.41
PTPRC P08575 1/20 0.41
PTPRG P23470 1/20 0.41
PKM P14618 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28588131 0.88 TAS2R14 (0.55) RIPK1TAS2R14CTSLNR3C1
SCHEMBL7707821 0.85 AKT1 (0.48) RIPK1CTSL
SCHEMBL6338886 0.84 TAS2R14 (0.42) TAS2R14TSHR
SCHEMBL21987970 0.80 RIPK1 (0.51) RIPK1CTSLAOC3TSHRRECQL
SCHEMBL7705917 0.77 TAS2R14 (0.44) TAS2R14NR3C1
SCHEMBL7705112 0.77 STAT5B (0.46) TAS2R14
SCHEMBL2262829 0.76 RIPK1 (0.47) RIPK1CTSLAOC3TSHRRECQL
SCHEMBL1965890 0.76 RIPK1 (0.47) RIPK1TAS2R14CTSLAOC3TSHR
SCHEMBL7705341 0.76 TSHR (0.40) TSHRRECQL
SCHEMBL7702197 0.76 RIPK1 (0.43) RIPK1TAS2R14

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6355665-B1 ANTIHISTAMINES, ANTIALLERGENS AND IRRITABLE BOWEL SYNDROME. JAMES BLACK FOUNDATION LIMITED (GB) 2002-03-12 US disclosed
WO-1999005114-A2 1H-4(5)-SUBSTITUTED IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS HISTAMINE H3 RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 1999-02-04 WO disclosed